4'-Chlorobiphenyl-3-carbaldehyde

C₁₃H₉ClOCAS 139502-80-0216.66 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₁₃H₉ClO
Molar mass: 216.66 g/mol
Exact mass: 216.0342 Da
logP: 3.82Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers
H411 Toxic to aquatic life with long lasting effects92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

139502-80-0

SMILES

C1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)C=O

InChIKey

JIBHWLKAALCSRU-UHFFFAOYSA-N

InChI

InChI=1S/C13H9ClO/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3-(4-Chlorophenyl)benzaldehyde

Work with 4'-Chlorobiphenyl-3-carbaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

[1,1′-Biphenyl]-3-carboxaldehyde1204-60-071 % similar 3-(4-Methylphenyl)benzaldehyde116470-54-366 % similar 3-(4-Fluorophenyl)benzaldehyde164334-74-166 % similar 3-(Pyridin-4-yl)benzaldehyde208190-04-963 % similar 3-Chlorobenzaldehyde587-04-262 % similar 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-760 % similar 4'-Trifluoromethyl-biphenyl-3-carbaldehyde343604-24-060 % similar 3-(4-Methylthiophenyl)benzaldehyde728918-93-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chlorobenzophenone1016-78-0 4-Chlorobenzophenone134-85-0 [1,1′-Biphenyl]-4-carbonyl chloride14002-51-8 3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde400744-49-2 2-Chlorobenzophenone5162-03-8

Elsewhere

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